UCSF

ZINC84847732

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2013 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.68 13.27 -10.61 0 5 0 56 381.472 6

Vendor Notes

Note Type Comments Provided By
Melting_Point 206? dec. Alfa-Aesar
Melting_Point 206° dec. Alfa-Aesar

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.